(E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide

C21H18Cl4N2O2 — CID 6243382

IUPAC(E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl4N2O2/c22-16-6-2-14(12-18(16)24)4-8-20(28)26-10-1-11-27-21(29)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13H,1,10-11H2,(H,26,28)(H,27,29)/b8-4+,9-5+
InChIKeyAWPTWNHJHDINDM-KBXRYBNXSA-N
MW472.20 g/mol
LogP5.65
Rot. Bonds8

About (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide (PubChem CID 6243382) has the molecular formula C21H18Cl4N2O2 and a molecular weight of 472.20 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
PubChem CID6243382
Molecular FormulaC21H18Cl4N2O2
Molecular Weight472.20 g/mol
Exact Mass470.01
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H18Cl4N2O2/c22-16-6-2-14(12-18(16)24)4-8-20(28)26-10-1-11-27-21(29)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13H,1,10-11H2,(H,26,28)(H,27,29)/b8-4+,9-5+
InChIKeyAWPTWNHJHDINDM-KBXRYBNXSA-N
XLogP5.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.20
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10453927
N-[3-(benzylmethylamino)propyl]-3,4-dichlorobenzamide
CID 118607364
5-[2-(3,4-Dichloro-phenyl)-ethylamino]-1-propyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10022599
(2E)-3-(4-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 692389
3-(3-chlorophenyl)-N-(2-phenylethyl)acrylamide
CID 898152
(2E,2''E)-N,N''-Butane-1,4-diylbis[3-(3,4-dichlorophenyl)-acrylamide]
CID 6063194
(E)-3-(3,4-dichlorophenyl)-N-[5-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]pentyl]prop-2-enamide
CID 25141413
(E)-N-[5-[4-(cycloheptylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 44529129
(E)-N-[5-[4-(cyclopentylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 44529130
(E)-N-[5-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]pentyl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 44529131
(E)-3-(3,4-dichlorophenyl)-N-[5-[4-(2-phenylethylcarbamoylamino)piperidin-1-yl]pentyl]prop-2-enamide
CID 44529138
(E)-3-(3,4-dichlorophenyl)-N-[5-[4-[methyl(2-phenylethylcarbamoyl)amino]piperidin-1-yl]pentyl]prop-2-enamide
CID 44533652

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide (CID 6243382) is (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
The InChIKey is AWPTWNHJHDINDM-KBXRYBNXSA-N. The full InChI is InChI=1S/C21H18Cl4N2O2/c22-16-6-2-14(12-18(16)24)4-8-20(28)26-10-1-11-27-21(29)9-5-15-3-7-17(23)19(25)13-15/h2-9,12-13H,1,10-11H2,(H,26,28)(H,27,29)/b8-4+,9-5+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide has a molecular weight of 472.20 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-[3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide is sourced from PubChem (CID 6243382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).